4-[[4-(hydroxymethyl)phenyl]methylamino]cyclohexan-1-ol

C14H21NO2 — CID 107229822

IUPAC4-[[4-(hydroxymethyl)phenyl]methylamino]cyclohexan-1-ol
SMILESOCc1ccc(CNC2CCC(O)CC2)cc1
InChIInChI=1S/C14H21NO2/c16-10-12-3-1-11(2-4-12)9-15-13-5-7-14(17)8-6-13/h1-4,13-17H,5-10H2
InChIKeyGRKRBEMQVSPDFO-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.57
Rot. Bonds4

About 4-[[4-(hydroxymethyl)phenyl]methylamino]cyclohexan-1-ol

4-[[4-(hydroxymethyl)phenyl]methylamino]cyclohexan-1-ol (PubChem CID 107229822) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[[4-(hydroxymethyl)phenyl]methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[4-(hydroxymethyl)phenyl]methylamino]cyclohexan-1-ol
PubChem CID107229822
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-[[4-(hydroxymethyl)phenyl]methylamino]cyclohexan-1-ol
SMILESOCc1ccc(CNC2CCC(O)CC2)cc1
InChIInChI=1S/C14H21NO2/c16-10-12-3-1-11(2-4-12)9-15-13-5-7-14(17)8-6-13/h1-4,13-17H,5-10H2
InChIKeyGRKRBEMQVSPDFO-UHFFFAOYSA-N
XLogP1.57
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[[(4-aminocyclohexyl)amino]methyl]phenyl]methanol
CID 107229924
4-[(4-cyclopropylphenyl)methylamino]cyclohexan-1-ol
CID 79979753
4-[[4-(dimethylamino)phenyl]methylamino]cyclohexan-1-ol
CID 43178531
[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]methanol
CID 114545663
4-[(4-propan-2-yloxyphenyl)methylamino]cyclohexan-1-ol
CID 43761673
4-[(4-butan-2-ylphenyl)methylamino]cyclohexan-1-ol
CID 115149482
[4-[(thiolan-3-ylamino)methyl]phenyl]methanol
CID 103062820
4-[(4-phenylmethoxyphenyl)methylamino]cyclohexan-1-ol
CID 163349895
[4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]phenyl]methanol
CID 107229803
4-[[[4-(hydroxymethyl)cyclohexyl]amino]methyl]phenol
CID 112753322
8-[4-[(cyclopropylamino)methyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63762455
4-[(3-cyclopropylphenyl)methylamino]cyclohexan-1-ol
CID 79979684

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(hydroxymethyl)phenyl]methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[[4-(hydroxymethyl)phenyl]methylamino]cyclohexan-1-ol (CID 107229822) is 4-[[4-(hydroxymethyl)phenyl]methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[4-(hydroxymethyl)phenyl]methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[[4-(hydroxymethyl)phenyl]methylamino]cyclohexan-1-ol is OCc1ccc(CNC2CCC(O)CC2)cc1.
What is the InChIKey of 4-[[4-(hydroxymethyl)phenyl]methylamino]cyclohexan-1-ol?
The InChIKey is GRKRBEMQVSPDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c16-10-12-3-1-11(2-4-12)9-15-13-5-7-14(17)8-6-13/h1-4,13-17H,5-10H2.
What are the key properties of 4-[[4-(hydroxymethyl)phenyl]methylamino]cyclohexan-1-ol?
4-[[4-(hydroxymethyl)phenyl]methylamino]cyclohexan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(hydroxymethyl)phenyl]methylamino]cyclohexan-1-ol is sourced from PubChem (CID 107229822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).